Locustatachykinin II
[CAS# 126985-98-6]

Identification

• Name: Locustatachykinin II
• Synonyms: (2S)-1-[(2S)-2-Aminopropanoyl]-N-[(1S)-1-[[(1S)-2-[[2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-4-Guanidino-Butyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Oxo-Ethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Carbamoyl]-3-Methyl-Butyl]Pyrrolidine-2-Carboxamide; (2S)-1-[(2S)-2-Amino-1-Oxopropyl]-N-[(1S)-1-[[[(1S)-2-[[2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[[(1S)-1-Carbamoyl-4-Guanidinobutyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-2-Oxoethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxoethyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-Oxomethyl]-3-Methylbutyl]-2-Pyrrolidinecarboxamide; (2S)-1-Alanyl-N-[(1S)-1-[[(1S)-2-[[2-[[(1S)-1-(Benzyl)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-4-Guanidino-Butyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Keto-Ethyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-1-Methylol-Ethyl]Carbamoyl]-3-Methyl-Butyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₅₀H₇₆N₁₄O₁₂
• Molecular Weight: 1065.24
• CAS Registry Number: 126985-98-6
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](N)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N
• InChI: 1S/C50H76N14O12/c1-27(2)21-34(61-47(74)38-14-10-20-64(38)49(76)29(5)51)45(72)62-37(26-65)44(71)57-24-39(67)58-36(22-30-11-7-6-8-12-30)46(73)60-35(23-31-15-17-32(66)18-16-31)43(70)56-25-40(68)63-41(28(3)4)48(75)59-33(42(52)69)13-9-19-55-50(53)54/h6-8,11-12,15-18,27-29,33-38,41,65-66H,9-10,13-14,19-26,51H2,1-5H3,(H2,52,69)(H,56,70)(H,57,71)(H,58,67)(H,59,75)(H,60,73)(H,61,74)(H,62,72)(H,63,68)(H4,53,54,55)/t29-,33-,34-,35-,36-,37-,38-,41-/m0/s1
• InChIKey: OPJHAGZHVNQOSR-ZAHKTKHZSA-N

Properties

• Density: 1.418g/cm³ (Cal.)